3-iodanyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 3-iodanyl-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 3-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 3-iodo-N-[[(6-methoxy-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 3-iodo-N-[(6-methoxy-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C16H12IN3O2S2 MolecularWeight: 469.31985

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H12IN3O2S2/c1-22-11-5-6-12-13(8-11)24-16(18-12)20-15(23)19-14(21)9-3-2-4-10(17)7-9/h2-8H,1H3,(H2,18,19,20,21,23)